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EC number: 204-376-9 | CAS number: 120-20-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - IUPAC name: 2-(3,4-dimethoxyphenyl)ethan-1-amine
- Common name: 3,4-dimethoxyphenethylamine
- Molecular weight: 181.2335 g/mole
- Molecular formula: C10H15NO2
- Smiles: COc1ccc(CCN)cc1OC
- Inchl: 1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
- Physical state: Liquid
- Substance type: Organic - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- 40.5 mg/L (as CaC03)
- Test temperature:
- 20±1°C
- pH:
- 7.6
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 548.73 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- not specified
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Other details not known
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the intoxication of daphnia magna by the chemical, the EC50 was estimated to be 548.73 mg/l.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the four closest read across substances, toxicity on daphnia magna was predicted for 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7). Based on the intoxication of test organism the EC50 value was estimated to be 548.73 mg/l when 2-(3,4-dimethoxyphenyl)ethan-1-amine exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7) is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and "o" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Primary amines by OECD HPV
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by US-EPA New
Chemical Categories
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Hydroquinones by DNA binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Narcotic Amine by Acute aquatic
toxicity MOA by OASIS
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals AND Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Hydroquinones by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Benzylamines-Acylation OR Acylation >> P450 Mediated Activation to
Isocyanates or Isothiocyanates >> Formamides OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR
Michael addition >> P450 Mediated Activation to Quinones and
Quinone-type Chemicals >> Methylenedioxyphenyl OR Michael addition >>
Polarised Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated esters OR No alert
found OR Schiff base formers OR Schiff base formers >> Chemicals
Activated by P450 to Glyoxal OR Schiff base formers >> Chemicals
Activated by P450 to Glyoxal >> Ethanolamines (including morpholine) OR
Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes OR
Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes >>
N-methylol derivates OR Schiff base formers >> Direct Acting Schiff Base
Formers OR Schiff base formers >> Direct Acting Schiff Base Formers >>
Mono aldehydes OR SN1 OR SN1 >> Iminium Ion Formation OR SN1 >> Iminium
Ion Formation >> Aliphatic tertiary amines OR SN1 >> Nitrenium Ion
formation OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1 >>
Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium
Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion
formation >> Tertiary aromatic amine OR SN1 >> Nitrenium Ion formation
>> Unsaturated heterocyclic nitro OR SN2 OR SN2 >> Epoxidation of
Aliphatic Alkenes OR SN2 >> Epoxidation of Aliphatic Alkenes >>
Halogenated polarised alkenes by DNA binding by OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup by
Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Phenols (Mucous membrane
irritation) Rank C by Repeated dose (HESS)
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.73
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.22
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the four closest read across substances, toxicity on daphnia magna was predicted for 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7). Based on the intoxication of test organism the EC50 value was estimated to be 548.73 mg/l when 2-(3,4-dimethoxyphenyl)ethan-1-amine exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7) is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 548.73 mg/L
Additional information
Based on the various predicted data for the target chemical and experimental data for structurally and functionally similar read across chemicals study have been reviewed to determine the toxic nature of target chemical 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7) on the mobility of invertebrates. The studies are as mentioned below:
The first weight of evidence for the target chemical 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7) from SSS QSAR prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the four closest read across substances, toxicity on daphnia magna was predicted for 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7). Based on the intoxication of test organism the EC50 value was estimated to be 548.73 mg/l when 2-(3,4-dimethoxyphenyl)ethan-1-amine exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7) is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
Similarly in the second weight of evidence study for the 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7) prediction done by using EPI suite, ECOSAR version 1.11, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this programe, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 630.6 mg/l for 2-(3,4-dimethoxyphenyl)ethan-1-amine in 48 hrs. Based on this value it can be concluded that the substance 2-(3,4-dimethoxyphenyl)ethan-1-amine is considered to be not toxic to aquatic environment and cannot be classified as per the criteria mentioned in CLP regulation.
First predicted study was supported by the second experimental weight of evidence study for the read across chemical 4-methoxyphenylacetic acid (104-01-8) from ABITEC report. Determination of the inhibition of the mobility of Daphnids was carried out with the substance 4-methoxyphenylacetic acid according to OECD Guideline 202. The stock solution 150.0 mg/L was prepared by dissolving white powder in reconstituted water. The solution was kept in ultrasonic bath for 20 min. The test solutions of required concentrations were prepared by mixing the stock solution of the test sample in reconstituted water. The test substance was tested at the concentrations 0, 30.0, 45.0, 67.5, 100.0 and 150.0 mg/L. The test was performed under static conditions in a fresh water system at a temperature of 20 °C± 1 °C. EC50 was calculated using nonlinear regression by the software Prism 4.0. The median effective concentration (EC50) for the test substance, 4-methoxyphenylacetic acid, in Daphnia magna was determined to be 100.8 mg/L for immobilisation effects with 95% CI of 94.7 to 107.4 mg/L. Thus, based on this EC50 value and after comparing with CLP criteria for aquatic classification of the substance it is concluded that the substance, 4-methoxyphenylacetic acid does not exhibit short term toxicity to aquatic invertebrate (Daphnia Magna).
The fourth study was conducted on the structurally and functionally similar read across chemical (121-34-6) from peer reviewed journal (chemosphere 2005). The acute immobilization toxicity of 4-Hydroxy-3-methoxybenzoic acid (Vanillic Acid) on the aromatic ring was determined for the freshwater crustacean Daphnia magna under neutralized condition. Test was performed under the static system at different concentrations ranges from 168.14 mg/l – 1681.4 mg/l (1-10 mmol/l). Solution was checked before and after (48 h) exposure experiments by the UV spectra (400–200 nm) using a UV–visible spectrophotometer, UV mini 1240. 50 ml glass beaker containing 40 ml of a test solution having 10 ml of headspace were used in the study. < 24 hrs Neonates obtain from National Institute for Environmental Studies (NIES), Tsukuba, Japan. Daphnia feeds once daily on3.0–3.5×108cells/l green alga Selenastrum capricornutum NIES-35. After the exposure of chemical effect were observed after 24 and 48 hrs. Based on the immobilization of daphnia magna by the exposure with chemical 4-Hydroxy-3-methoxy -benzoic acid (Vanillic Acid) for 48 hrs, the EC50 was determine to be 908 mg/l and at 24 hrs observed to be 1180 mg/l. Based on the EC50 value chemical 4-Hydroxy-3-methoxybenzoic acid (Vanillic Acid) was consider as nontoxic and can be consider to be not classified as per the CLP classification criteria.
Similarly in the fifth study on the read across chemical 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)-pyrimidin (Trimethoprim) (738-70-5) (Ecotoxicology 2008) study was conducted to determine the toxicity of chemical 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)-pyrimidin (Trimethoprim) on the mobility of daphnia magna. Test was performed according to the US EPA guideline. Effect concentration of chemical on Freshwater daphnia was tested by static system. Different measured concentration was directly prepared in dilution water. Organisms fed daily during the test. All water parameters measured daily. Immobilization was employed as an endpoint and considered to happen if no movement was detected for 15 s after gentle shaking of the test vehicle. Immobilization measured by probit analysis. After the exposure of chemical EC50 was measured at 24 and 48hrs, EC50 at 24hrs was 155.6 mg/l and at 48hrs 92.0 mg/l. Based on the immobilization of daphnia magna due to the exposure of chemical for 24hrs, the EC50 was 155.6 MG/L with 95% CI: 147.44 -163.700 mg/l. And on the basis of EC50 (155.6 mg/l), it is concluded that the chemical was nontoxic and can be consider to be not classified as toxic to aquatic environment as per the CLP classification criteria.
Based on the predicted data for the target chemical (from OECD QSAR 2018 and EPIsuite) and for the read across chemical from experimental lab reports (ABITEC reports, chemosphere and Ecotoxicology 2008), it can be concluded that the substance 2-(3,4-dimethoxyphenyl)ethan-1-amine (120-20-7) is considered to be not toxic to aquatic environment (aquatic invertebrates) and cannot be classified as toxic as per the criteria mentioned in CLP regulation.
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